O4-tert-butyl O5-butyl 1-[(3-fluorophenyl)methyl]-1,2,3-triazole-4,5-dicarboxylate

Systemtic Name: O4-tert-butyl O5-butyl 1-[(3-fluorophenyl)methyl]-1,2,3-triazole-4,5-dicarboxylate Openeye Name: O4-tert-butyl O5-butyl 1-[(3-fluorophenyl)methyl]triazole-4,5-dicarboxylate CAS Name: 1-[(3-fluorophenyl)methyl]triazole-4,5-dicarboxylic acid O4-tert-butyl ester O5-butyl ester IUPAC Name: 4-O-tert-butyl 5-O-butyl 1-[(3-fluorophenyl)methyl]triazole-4,5-dicarboxylate Traditional Name: 1-(3-fluorobenzyl)triazole-4,5-dicarboxylic acid O4-tert-butyl ester O5-butyl ester Formula: C19H24FN3O4 MolecularWeight: 377.409963

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(N=NN1CC2=CC(=CC=C2)F)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCOC(=O)C1=C(N=NN1CC2=CC(=CC=C2)F)C(=O)OC(C)(C)C

InChI

InChI=1S/C19H24FN3O4/c1-5-6-10-26-18(25)16-15(17(24)27-19(2,3)4)21-22-23(16)12-13-8-7-9-14(20)11-13/h7-9,11H,5-6,10,12H2,1-4H3